1-Naphthylmethyl butyrate
Basic information
- CAS
13098-89-0- Standard SMILES
CCCC(=O)OCc1cccc2ccccc12- InChIKey
FCPGUANAAQUCJO-UHFFFAOYSA-N- Molecular formula
- C15H16O2
- Average molar mass
- 228.29 g/mol
- Monoisotopic mass
- 228.11502975
Names & identifiers
- Preferred name
- 1-Naphthylmethyl butyrate
- IUPAC
- naphthalen-1-ylmethyl butanoate
Names & synonyms
1-Naphthylmethyl butyrate13098-89-0UNII-LTQ04VT310Naphthalen-1-ylmethyl butyrateLTQ04VT310Butanoic acid, 1-naphthalenylmethyl ester(Naphthalen-1-yl)methyl butanoateAI3-30449DTXSID209269901-NAPHTHALENEMETHANOL, BUTYRATEBUTYRIC ACID, 1-NAPHTHYLMETHYL ESTERQ27283175
Database identifiers
- CAS
13098-89-0- PubChem CID
- 44147993
- DTXSID
DTXSID20926990- UNII
- LTQ04VT310
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 249
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Related reactions
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Compound notes
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